3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one

C16H11NO3S — CID 29147891

IUPAC3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one
SMILESCc1nc(-c2cc3cc4c(C)coc4cc3oc2=O)cs1
InChIInChI=1S/C16H11NO3S/c1-8-6-19-15-5-14-10(3-11(8)15)4-12(16(18)20-14)13-7-21-9(2)17-13/h3-7H,1-2H3
InChIKeyAEEXYXHYLSUECA-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.28
Rot. Bonds1

About 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one

3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one (PubChem CID 29147891) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one
PubChem CID29147891
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one
SMILESCc1nc(-c2cc3cc4c(C)coc4cc3oc2=O)cs1
InChIInChI=1S/C16H11NO3S/c1-8-6-19-15-5-14-10(3-11(8)15)4-12(16(18)20-14)13-7-21-9(2)17-13/h3-7H,1-2H3
InChIKeyAEEXYXHYLSUECA-UHFFFAOYSA-N
XLogP4.28
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one?
The IUPAC name of 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one (CID 29147891) is 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one is Cc1nc(-c2cc3cc4c(C)coc4cc3oc2=O)cs1.
What is the InChIKey of 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one?
The InChIKey is AEEXYXHYLSUECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c1-8-6-19-15-5-14-10(3-11(8)15)4-12(16(18)20-14)13-7-21-9(2)17-13/h3-7H,1-2H3.
What are the key properties of 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one?
3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one has a molecular weight of 297.34 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methyl-1,3-thiazol-4-yl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 29147891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).